Geometry & MOs

Info

ID:

59817

PubChem CID:

24898364

Reduced:

SN3O9C33H53 (1)

Stoich.:

AB3C9D33E53 (1)

Weight, g/mol:

669.211429

ΔHf, kcal/mol:

-433.85

Dipole, Da:

7.46

IP(EA), eV:

 -8.89(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

sodium;2,5-dioxo-1-[6-[6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexanoylamino]hexanoyloxy]pyrrolidine-3-sulfonate

Drug info:

PubChemData

Smile

CCCCCC/C=C/CCCCCCCCCC1=CC(=C(C(=C1O)OC)S[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)O

DOS

IR

Vibrations